{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 42.21344580000001 34.27634290000001 -21.471753200000002 ] [ -1.3250171000000002 -0.18371090000000004 -0.22093070000000006 ] [ 49.32028380000001 33.50543420000001 -25.27778440000001 ] [ -9.074049600000002 5.175490600000001 -7.630843200000002 ] [ -17.720033300000004 19.432060500000002 32.810906800000005 ] [ -38.88418440000001 -40.917075100000005 13.736349900000004 ] [ 3.094571800000001 -1.9379937000000005 13.589336600000003 ] [ -27.625017000000007 -49.350548400000015 -5.5352817000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.763339650138544e-08 5.491675569335181e-08 -3.440154126805473e-08 ] [ -2.122911437270441e-09 -2.943373113911106e-10 -3.539700052732639e-10 ] [ 7.901980628660874e-08 5.36816237872645e-08 -4.049947552496973e-08 ] [ -1.453823024487705e-08 8.292050108806641e-09 -1.222595867275779e-08 ] [ -2.839062330696192e-08 3.113359328357436e-08 5.256886821531171e-08 ] [ -6.229933167782732e-08 -6.555638165684321e-08 2.200805884622824e-08 ] [ 4.958050630195323e-09 -3.105008222979206e-09 2.1772517572081e-08 ] [ -4.426015675125278e-08 -7.90682955215661e-08 -8.868499002347797e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1033994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298307717464962e-18 } }